Chemical ID: 3918519

c1ccc(c(c1)c2c(n3cc(ccc3n2)Cl)NCc4ccc5c(c4)OCO5)O
Chemical ID:
3918519
Name [?]:
2-[9-(benzo[1,3]dioxol-5-ylmethylamino)-3-chloro-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]phenol
SMILES [?]:
c1ccc(c(c1)c2c(n3cc(ccc3n2)Cl)NCc4ccc5c(c4)OCO5)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16ClN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1295
Area:589.022
Solvation:-4.59606
Coulombic:-57.1856
Bond Count [?]
All:32
Single:22
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:393.823
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.68
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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